Andrea Bottoni, Matteo Calvaresi, Tainah Dorina Marforio, Edoardo Jun Mattioli, Binding and recognition mechanisms of the human tyrosylprotein sulfotransferase isoform-2 (TPST-2) towards its natural ligands. A computational investigation., in: LUIGI BOLONDI FELICITATIONS VOLUME Studies in Medicine and Its History Studi medici e di storia della medicina in onore di Luigi Bolondi, (Milano – Udine), MIMESIS, 2021, pp. 145 - 158 [capitolo di libro]
Kovtun A.; Bianchi A.; Zambianchi M.; Bettini C.; Corticelli F.; Ruani G.; Bocchi L.; Stante F.; Gazzano M.; Marforio T.D.; Calvaresi M.; Minelli M.; Navacchia M.L.; Palermo V.; Melucci M., Core-shell graphene oxide-polymer hollow fibers as water filters with enhanced performance and selectivity, «FARADAY DISCUSSIONS», 2021, 227, pp. 274 - 290 [articolo]
Khaliha S.; Marforio T.D.; Kovtun A.; Mantovani S.; Bianchi A.; Luisa Navacchia M.; Zambianchi M.; Bocchi L.; Boulanger N.; Iakunkov A.; Calvaresi M.; Talyzin A.V.; Palermo V.; Melucci M., Defective graphene nanosheets for drinking water purification: Adsorption mechanism, performance, and recovery, «FLATCHEM», 2021, 29, Article number: 100283, pp. 100283 - 100283 [articolo]
Marforio T.D.; Calza A.; Mattioli E.J.; Zerbetto F.; Calvaresi M., Dissecting the supramolecular dispersion of fullerenes by proteins/peptides: Amino acid ranking and driving forces for binding to c60, «INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES», 2021, 22, Article number: 11567, pp. 11567 - 11567 [articolo]
Gesteira T.F.; Marforio T.D.; Mueller J.W.; Calvaresi M.; Coulson-Thomas V.J., Structural Determinants of Substrate Recognition and Catalysis by Heparan Sulfate Sulfotransferases, «ACS CATALYSIS», 2021, 11, pp. 10974 - 10987 [articolo]
Acocella A.; Marforio T.D.; Calvaresi M.; Bottoni A.; Zerbetto F., Electron Dynamics with Explicit-Time Density Functional Theory of the [4+2] Diels-Alder Reaction, «JOURNAL OF CHEMICAL THEORY AND COMPUTATION», 2020, 16, pp. 2172 - 2180 [articolo]Open Access
Di Giosia M.; Marforio T.D.; Cantelli A.; Valle F.; Zerbetto F.; Su Q.; Wang H.; Calvaresi M., Inhibition of α-chymotrypsin by pristine single-wall carbon nanotubes: Clogging up the active site, «JOURNAL OF COLLOID AND INTERFACE SCIENCE», 2020, 571, pp. 174 - 184 [articolo]
Bottoni A.; Calvaresi M.; Marforio T.D.; Miscione G.P., A Mechanistic Insight into the Cu(II)-Catalyzed C–N and C–O Coupling Reaction of Arylglyoxylic Acids with Isatins; A DFT Investigation, «EUROPEAN JOURNAL OF ORGANIC CHEMISTRY», 2019, 2019, pp. 6776 - 6782 [articolo]
Marforio T.D.; Bottoni A.; Zerbetto F.; Calvaresi M., CNT-Catalyzed Oxidative Dehydrogenation of Ethylbenzene to Styrene: DFT Calculations Disclose the Pathways, «CHEMNANOMAT», 2019, 5, pp. 499 - 505 [articolo]
Di Giosia M.; Nicolini F.; Ferrazzano L.; Solda A.; Valle F.; Cantelli A.; Marforio T.D.; Bottoni A.; Zerbetto F.; Montalti M.; Rapino S.; Tolomelli A.; Calvaresi M., Stable and Biocompatible Monodispersion of C 60 in Water by Peptides, «BIOCONJUGATE CHEMISTRY», 2019, 30, pp. 808 - 814 [articolo]
Lara Campesato, Tainah Dorina Marforio, Pietro Giacinto, Matteo Calvaresi, Andrea Bottoni, A Full QM Computational Study of the Catalytic Mechanism of α-1,4-Glucan Lyases, «CHEMPHYSCHEM», 2018, 19, pp. 1514 - 1521 [articolo]
Marforio, Tainah Dorina; Bottoni, Andrea; Giacinto, Pietro; Zerbetto, Francesco; Calvaresi, Matteo, Aromatic Bromination of N-Phenylacetamide Inside CNTs. Are CNTs Real Nanoreactors Controlling Regioselectivity and Kinetics? A QM/MM Investigation, «JOURNAL OF PHYSICAL CHEMISTRY. C», 2017, 121, pp. 27674 - 27682 [articolo]
Trozzi, Francesco; Marforio, Tainah Dorina; Bottoni, Andrea; Zerbetto, Francesco; Calvaresi, Matteo, Engineering the Fullerene-protein Interface by Computational Design: The Sum is More than its Parts, «ISRAEL JOURNAL OF CHEMISTRY», 2017, 57, pp. 547 - 552 [articolo]Open Access
Marforio, Tainah Dorina; Bottoni, Andrea; Calvaresi, Matteo; Fabbri, Daniele; Giacinto, Pietro; Zerbetto, Francesco, The Reaction Pathway of Cellulose Pyrolysis to a Multifunctional Chiral Building Block: The Role of Water Unveiled by a DFT Computational Investigation, «CHEMPHYSCHEM», 2016, 17, pp. 3948 - 3953 [articolo]
Marforio, T.D.; Giacinto, P.; Bottoni, A.; Calvaresi, M., Computational Evidence for the Catalytic Mechanism of Tyrosylprotein Sulfotransferases: A Density Functional Theory Investigation, «BIOCHEMISTRY», 2015, 54, pp. 4404 - 4410 [articolo]
